2-(azetidin-3-yl)-N-methylsulfinylacetamide

C6H12N2O2S — CID 138720233

IUPAC2-(azetidin-3-yl)-N-methylsulfinylacetamide
SMILESCS(=O)NC(=O)CC1CNC1
InChIInChI=1S/C6H12N2O2S/c1-11(10)8-6(9)2-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyJKQKZJVQRDMMGF-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.99
Rot. Bonds3

About 2-(azetidin-3-yl)-N-methylsulfinylacetamide

2-(azetidin-3-yl)-N-methylsulfinylacetamide (PubChem CID 138720233) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-methylsulfinylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-methylsulfinylacetamide
PubChem CID138720233
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name2-(azetidin-3-yl)-N-methylsulfinylacetamide
SMILESCS(=O)NC(=O)CC1CNC1
InChIInChI=1S/C6H12N2O2S/c1-11(10)8-6(9)2-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyJKQKZJVQRDMMGF-UHFFFAOYSA-N
XLogP-0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-methylsulfinylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-methylsulfinylacetamide (CID 138720233) is 2-(azetidin-3-yl)-N-methylsulfinylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-methylsulfinylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-methylsulfinylacetamide is CS(=O)NC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-methylsulfinylacetamide?
The InChIKey is JKQKZJVQRDMMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-11(10)8-6(9)2-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(azetidin-3-yl)-N-methylsulfinylacetamide?
2-(azetidin-3-yl)-N-methylsulfinylacetamide has a molecular weight of 176.24 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-methylsulfinylacetamide is sourced from PubChem (CID 138720233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).